37RI
Multi-parameter optimization of a novel anti-TROP2 MMAE Antibody-Drug-Conjugate for solid tumor therapy
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSLS-II BEAMLINE 17-ID-2 |
| Synchrotron site | NSLS-II |
| Beamline | 17-ID-2 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2025-03-04 |
| Detector | DECTRIS EIGER X 16M |
| Wavelength(s) | 0.97933 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 50.777, 212.066, 77.438 |
| Unit cell angles | 90.00, 106.02, 90.00 |
Refinement procedure
| Resolution | 37.220 - 2.300 |
| R-factor | 0.2284 |
| Rwork | 0.227 |
| R-free | 0.26480 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.006 |
| RMSD bond angle | 0.844 |
| Data reduction software | autoPROC |
| Data scaling software | autoPROC |
| Phasing software | MOLREP |
| Refinement software | PHENIX ((2.2_6143: ???)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 37.220 | 2.307 |
| High resolution limit [Å] | 2.300 | 2.300 |
| Rmerge | 0.081 | 0.493 |
| Rmeas | 0.088 | 0.552 |
| Rpim | 0.033 | 0.241 |
| Number of reflections | 66610 | 643 |
| <I/σ(I)> | 13.7 | 2.1 |
| Completeness [%] | 95.7 | 90.6 |
| Redundancy | 7 | 4.6 |
| CC(1/2) | 0.997 | 0.884 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 277 | 0.2 M Ammonium Phosphate; 20% PEG 3350 |
